N-[3-(dimethylamino)propyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-thiophen-2-ylquinoline-4-carboxamide;hydrochloride

C26H24ClFN4OS2 — CID 24891982

About N-[3-(dimethylamino)propyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-thiophen-2-ylquinoline-4-carboxamide;hydrochloride

N-[3-(dimethylamino)propyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-thiophen-2-ylquinoline-4-carboxamide;hydrochloride (PubChem CID 24891982) has the molecular formula C26H24ClFN4OS2 and a molecular weight of 527.09 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-thiophen-2-ylquinoline-4-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: N-[3-(dimethylamino)propyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-thiophen-2-ylquinoline-4-carboxamide;hydrochloride
• PubChem CID: 24891982
• Molecular Formula: C26H24ClFN4OS2
• Molecular Weight: 527.09 g/mol
• Exact Mass: 526.11
• IUPAC Name: N-[3-(dimethylamino)propyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-thiophen-2-ylquinoline-4-carboxamide;hydrochloride
• SMILES: CN(C)CCCN(C(=O)c1cc(-c2cccs2)nc2ccccc12)c1nc2c(F)cccc2s1.Cl
• InChI: InChI=1S/C26H23FN4OS2.ClH/c1-30(2)13-7-14-31(26-29-24-19(27)9-5-11-23(24)34-26)25(32)18-16-21(22-12-6-15-33-22)28-20-10-4-3-8-17(18)20;/h3-6,8-12,15-16H,7,13-14H2,1-2H3;1H
• InChIKey: ZPODCPRZYGQEEL-UHFFFAOYSA-N
• XLogP: 6.73
• TPSA: 49.33 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	527.09
LogP ≤ 5	6.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-thiophen-2-ylquinoline-4-carboxamide;hydrochloride?

The IUPAC name of N-[3-(dimethylamino)propyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-thiophen-2-ylquinoline-4-carboxamide;hydrochloride (CID 24891982) is N-[3-(dimethylamino)propyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-thiophen-2-ylquinoline-4-carboxamide;hydrochloride.

What is the SMILES notation for N-[3-(dimethylamino)propyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-thiophen-2-ylquinoline-4-carboxamide;hydrochloride?

The canonical SMILES for N-[3-(dimethylamino)propyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-thiophen-2-ylquinoline-4-carboxamide;hydrochloride is CN(C)CCCN(C(=O)c1cc(-c2cccs2)nc2ccccc12)c1nc2c(F)cccc2s1.Cl.

What is the InChIKey of N-[3-(dimethylamino)propyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-thiophen-2-ylquinoline-4-carboxamide;hydrochloride?

The InChIKey is ZPODCPRZYGQEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN4OS2.ClH/c1-30(2)13-7-14-31(26-29-24-19(27)9-5-11-23(24)34-26)25(32)18-16-21(22-12-6-15-33-22)28-20-10-4-3-8-17(18)20;/h3-6,8-12,15-16H,7,13-14H2,1-2H3;1H.

What are the key properties of N-[3-(dimethylamino)propyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-thiophen-2-ylquinoline-4-carboxamide;hydrochloride?

N-[3-(dimethylamino)propyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-thiophen-2-ylquinoline-4-carboxamide;hydrochloride has a molecular weight of 527.09 g/mol, XLogP of 6.73, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(dimethylamino)propyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-thiophen-2-ylquinoline-4-carboxamide;hydrochloride is sourced from PubChem (CID 24891982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).